Dam seepage analysis based on artificial neural networks: the hysteresis phenomenon

Seepage flow measurement is an important behavior indicator when providing information about dam performance. The main objective of this study is to analyze seepage by means of an artificial neural network model. The model is trained and validated with data measured at a case study. The dam behavior towards different water level changes is reproduced by the model and a hysteresis phenomenon detected and studied. Artificial neural network models are shown to be a powerful tool for predicting and understanding seepage phenomenon

Empirical modeling of the sodium channel inhibition caused by drugs

The aim of this work was to create extended QSAR model of the relationship between sodium channel blocking activity of the particular compound and its chemical structure together with the in vitro assay conditions. Artificial neural networks (ANNs) were chosen as modeling tools. Chemoinformatics software was used for calculation of the molecular descriptors describing the structure of the interest. Drug concentration causing 50% of the channel inhibition (IC50) was used as the modeling endpoint. The data was based on the literature search and consisted of 38 drugs and 108 records. Initial number of inputs was 110 and during the sensitivity analysis was reduced to 20. ANNs models were optimized in the extended 10-fold cross-validation scheme yielding RMSE = 0.68, NRMSE = 20.7% and R2= 0.35. Best models were ANNs ensembles combining three ANNs with their outputs averaged as a collective output of the system

Paoding: Supervised Robustness-preserving Data-free Neural Network Pruning

When deploying pre-trained neural network models in real-world applications, model consumers often encounter resource-constraint platforms such as mobile and smart devices. They typically use the pruning technique to reduce the size and complexity of the model, generating a lighter one with less resource consumption. Nonetheless, most existing pruning methods are proposed with a premise that the model after being pruned has a chance to be fine-tuned or even retrained based on the original training data. This may be unrealistic in practice, as the data controllers are often reluctant to provide their model consumers with the original data. In this work, we study the neural network pruning in the \emph{data-free} context, aiming to yield lightweight models that are not only accurate in prediction but also robust against undesired inputs in open-world deployments. Considering the absence of the fine-tuning and retraining that can fix the mis-pruned units, we replace the traditional aggressive one-shot strategy with a conservative one that treats the pruning as a progressive process. We propose a pruning method based on stochastic optimization that uses robustness-related metrics to guide the pruning process. Our method is implemented as a Python package named \textsc{Paoding} and evaluated with a series of experiments on diverse neural network models. The experimental results show that it significantly outperforms existing one-shot data-free pruning approaches in terms of robustness preservation and accuracy

Heuristic modeling of macromolecule release from PLGA microspheres

Dissolution of protein macromolecules from poly(lactic-co-glycolic acid) (PLGA) particles is a complex process and still not fully understood. As such, there are difficulties in obtaining a predictive model that could be of fundamental significance in design, development, and optimization for medical applications and toxicity evaluation of PLGA-based multiparticulate dosage form. In the present study, two models with comparable goodness of fit were proposed for the prediction of the macromolecule dissolution profile from PLGA micro- and nanoparticles. In both cases, heuristic techniques, such as artificial neural networks (ANNs), feature selection, and genetic programming were employed. Feature selection provided by fscaret package and sensitivity analysis performed by ANNs reduced the original input vector from a total of 300 input variables to 21, 17, 16, and eleven; to achieve a better insight into generalization error, two cut-off points for every method was proposed. The best ANNs model results were obtained by monotone multi-layer perceptron neural network (MON-MLP) networks with a root-mean-square error (RMSE) of 15.4, and the input vector consisted of eleven inputs. The complicated classical equation derived from a database consisting of 17 inputs was able to yield a better generalization error (RMSE) of 14.3. The equation was characterized by four parameters, thus feasible (applicable) to standard nonlinear regression techniques. Heuristic modeling led to the ANN model describing macromolecules release profiles from PLGA microspheres with good predictive efficiency. Moreover genetic programming technique resulted in classical equation with comparable predictability to the ANN model

Feature selection using Deep Neural Networks

Feature descriptors involved in video processing are generally high dimensional in nature. Even though the extracted features are high dimensional, many a times the task at hand depends only on a small subset of these features. For example, if two actions like running and walking have to be identified, extracting features related to the leg movement of the person is enough. Since, this subset is not known apriori, we tend to use all the features, irrespective of the complexity of the task at hand. Selecting task-aware features may not only improve the efficiency but also the accuracy of the system. In this work, we propose a supervised approach for task-aware selection of features using Deep Neural Networks (DNN) in the context of action recognition. The activation potentials contributed by each of the individual input dimensions at the first hidden layer are used for selecting the most appropriate features. The selected features are found to give better classification performance than the original high-dimensional features. It is also shown that the classification performance of the proposed feature selection technique is superior to the low-dimensional representation obtained by principal component analysis (PCA)

Generalized in vitro-in vivo relationship (IVIVR) model based on artificial neural networks

Background: The aim of this study was to develop a generalized in vitro-in vivo relationship (IVIVR) model based on in vitro dissolution profiles together with quantitative and qualitative composition of dosage formulations as covariates. Such a model would be of substantial aid in the early stages of development of a pharmaceutical formulation, when no in vivo results are yet available and it is impossible to create a classical in vitro-in vivo correlation (IVIVC)/IVIVR. Methods: Chemoinformatics software was used to compute the molecular descriptors of drug substances (ie, active pharmaceutical ingredients) and excipients. The data were collected from the literature. Artificial neural networks were used as the modeling tool. The training process was carried out using the 10-fold cross-validation technique. Results: The database contained 93 formulations with 307 inputs initially, and was later limited to 28 in a course of sensitivity analysis. The four best models were introduced into the artificial neural network ensemble. Complete in vivo profiles were predicted accurately for 37.6% of the formulations. Conclusion: It has been shown that artificial neural networks can be an effective predictive tool for constructing IVIVR in an integrated generalized model for various formulations. Because IVIVC/IVIVR is classically conducted for 2–4 formulations and with a single active pharmaceutical ingredient, the approach described here is unique in that it incorporates various active pharmaceutical ingredients and dosage forms into a single model. Thus, preliminary IVIVC/IVIVR can be available without in vivo data, which is impossible using current IVIVC/IVIVR procedures

Automated Design of Neural Network Architecture for Classification

This Ph.D. thesis deals with finding a good architecture of a neural network classifier. The focus is on methods to improve the performance of existing architectures (i.e. architectures that are initialised by a good academic guess) and automatically building neural networks. An introduction to the Multi-Layer feed-forward neural network is given and the most essential properties for neural networks; there ability to learn from examples is discussion. Topics like traning and generalisation are treated in more explicit. On the basic of this dissuscion methods for finding a good architecture of the network described. This includes methods like; Early stopping, Cross validation, Regularisation, Pruning and various constructions algorithms (methods that successively builds a network). New ideas of combining units with different types of transfer functions like radial basis functions and sigmoid or threshold functions led to the development of a new construction algorithm for classification. The algorithm called "GLOCAL" is fully described. Results from these experiments real life data from a Synthetic Aperture Radar (SAR) are provided.The thesis was written so people from the industry and graduate students who are interested in neural networks hopeful would find it useful.Key words: Neural networks, Architectures, Training, Generalisation deductive and construction algorithms